N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[5-[[cyclopropyl(oxo)methyl]amino]-2-methylphenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H24N4O5S/c1-14-5-8-17(24-21(28)15-6-7-15)12-19(14)25-22(29)16-3-2-4-18(11-16)32(30,31)26-10-9-23-20(27)13-26/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,23,27)(H,24,28)(H,25,29)